Author Topic: Example of Möbius nanoribbon with graphene  (Read 2297 times)

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Offline rruisan

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Example of Möbius nanoribbon with graphene
« on: April 2, 2014, 09:22 »
Hello, I have a question of how to build the "Moebius.py" example that comes in quantumwise page for graphene. When trying to build I get this:

An error occurred
The Following Error was generated During execution of the program:
No module named Twister
If the message is not clear or is the Error Caused by VNL itself, Please report the issue to QuantumWise, and make sure to include the traceback (click "Show Details ...") and the script.

When I show details I get:

Traceback (most recent call last):
   File ". \ Zipdir \ NL \ GUI \ DnD \ MimeData.py", line 286, in _textTypes
   File ". \ Zipdir \ NL \ NanoLanguage \ ScopeExecuter.py", line 76, in execute
NLScopeExecutionError: No module named Twister

If someone could explain in detail how to solve the problem, I'm not an expert in the use of this. Thanks in advance.
« Last Edit: April 2, 2014, 09:34 by rruisan »

Offline Anders Blom

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Re: Example of Möbius nanoribbon with graphene
« Reply #1 on: April 2, 2014, 18:13 »
The way to resolve this is written just below the script "Moebius.py" in the tutorial - you must download Twister.py (from the previous chapters of the tutorial) and place it in the VNL home directory (the directory where you started VNL).

There are easier ways to do this today, if you have VNL 12.8 or later:

1. From the AddOn Manager (available in the Help menu), download the package called TubeWrapper.
2. Then, still in the AddOn Manager, click "Local install" and install the package "FunWithGraphene.zip", attached to this post.
3. Restart VNL.
4. Open the Builder.
5. Using Add>From Plugins>Nanoribbon, create the desired nanoribbon.
6. Repeat it a lot of times in Z, maybe 30.
7. Use the newly installed plugin Coordinate Tools>Twister and make a twist of 180 degrees.
8. Then use Bulk Tools>Swap axes and swap B<>C and Y<>Z.
9. Use Coordinate Tools>Tube Wrapper, with 360 degrees.
10. Convert to molecule

Offline rruisan

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Re: Example of Möbius nanoribbon with graphene
« Reply #2 on: April 2, 2014, 21:19 »
Thank you very much!. A doubt. Where do I find the VNL home directory?

Offline Anders Blom

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Re: Example of Möbius nanoribbon with graphene
« Reply #3 on: April 2, 2014, 23:42 »
If you start VNL from the command line, it's the directory where you started it. If you have a desktop icon, then check the definition of "Start in" directory of the icon.

You can also place the file in vnl/lib/site-packages (on Linux: vnl/lib/python2.7/site-packages) to make it independent of the start directory. Or, if you use ATK 13.8 but still prefer the "old" method, just place it in your current project directory.

Offline rruisan

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Re: Example of Möbius nanoribbon with graphene
« Reply #4 on: April 4, 2014, 09:18 »
Hello Anders Blom, did what you provided me!, place Moebius.py
and Twister.py on vnl / lib / site-packages for my case. But when looking at Moebius.py in the editor and give him build, not build it does not leave any error window, I would appreciate if you can guide me.

Moreover, I wanted to do the second option you told me. I can not find the page of quantumwise "download the package called TubeWrapper".Thank you very much in advance!

Offline Anders Blom

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Re: Example of Möbius nanoribbon with graphene
« Reply #5 on: April 4, 2014, 09:36 »
Which version of ATK are you using? I suggest you download 13.8 from the website, and then you can find the TubeWrapper by going to the Help menu, AddOn Manager.

Offline rruisan

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Re: Example of Möbius nanoribbon with graphene
« Reply #6 on: April 8, 2014, 18:22 »
Excuse the delay had some problems with quatumwise window. I'm using 13.8, and put in the directions indicated Tiwster.py, opening the builder for part of the Add-from file-Moebius.py tells me the following

No supported configurations in file:
/home/richie/QuantumWise/atk-13.8.1/vnl/lib/python2.7/site-packages/Moebius.py

Thanks in advance!

Offline Anders Blom

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Re: Example of Möbius nanoribbon with graphene
« Reply #7 on: April 8, 2014, 23:58 »
You should not open Moebius.py in the Builder, it's a Custom Builder script that should be dropped on the "Custom Builder", as described in the (outdated) tutorial, after you have placed "Twister.py" in site-packages.

But for 13.8 just follow the 1-2-3 instructions above, it will give you much more flexibility and control anyway.